1-(3-chlorothiophen-2-yl)undecan-2-amine

C15H26ClNS — CID 112749736

IUPAC1-(3-chlorothiophen-2-yl)undecan-2-amine
SMILESCCCCCCCCCC(N)Cc1sccc1Cl
InChIInChI=1S/C15H26ClNS/c1-2-3-4-5-6-7-8-9-13(17)12-15-14(16)10-11-18-15/h10-11,13H,2-9,12,17H2,1H3
InChIKeyFORJSUQUIXMJQD-UHFFFAOYSA-N
MW287.90 g/mol
LogP5.41
Rot. Bonds10

About 1-(3-chlorothiophen-2-yl)undecan-2-amine

1-(3-chlorothiophen-2-yl)undecan-2-amine (PubChem CID 112749736) has the molecular formula C15H26ClNS and a molecular weight of 287.90 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)undecan-2-amine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)undecan-2-amine
PubChem CID112749736
Molecular FormulaC15H26ClNS
Molecular Weight287.90 g/mol
Exact Mass287.15
IUPAC Name1-(3-chlorothiophen-2-yl)undecan-2-amine
SMILESCCCCCCCCCC(N)Cc1sccc1Cl
InChIInChI=1S/C15H26ClNS/c1-2-3-4-5-6-7-8-9-13(17)12-15-14(16)10-11-18-15/h10-11,13H,2-9,12,17H2,1H3
InChIKeyFORJSUQUIXMJQD-UHFFFAOYSA-N
XLogP5.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.90
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorothiophen-2-yl)heptan-1-amine
CID 114752614
1-thiophen-2-yltridecan-2-amine
CID 65428259
1-thiophen-3-ylundecan-2-amine
CID 65427688
1-(3-chlorothiophen-2-yl)tridecan-1-ol
CID 115789521
1-thiophen-3-ylheptan-2-amine
CID 61077742
1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 62796871
2-(1-bromoheptyl)-3-chlorothiophene
CID 114753686
1-(3-chlorothiophen-2-yl)nonylhydrazine
CID 105294361
1-(3-chlorothiophen-2-yl)hexan-1-ol
CID 80530393
1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine
CID 115846498
1-(3-chloro-2-fluorophenyl)dodecan-2-amine
CID 82789502
1-(3-chloro-2-fluorophenyl)octan-2-amine
CID 82806578

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)undecan-2-amine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)undecan-2-amine (CID 112749736) is 1-(3-chlorothiophen-2-yl)undecan-2-amine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)undecan-2-amine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)undecan-2-amine is CCCCCCCCCC(N)Cc1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)undecan-2-amine?
The InChIKey is FORJSUQUIXMJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNS/c1-2-3-4-5-6-7-8-9-13(17)12-15-14(16)10-11-18-15/h10-11,13H,2-9,12,17H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)undecan-2-amine?
1-(3-chlorothiophen-2-yl)undecan-2-amine has a molecular weight of 287.90 g/mol, XLogP of 5.41, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)undecan-2-amine is sourced from PubChem (CID 112749736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).